[2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 1-(phenylmethyl)-3-thiophen-2-yl-pyrazole-4-carboxylate

Systemtic Name: [2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 1-(phenylmethyl)-3-thiophen-2-yl-pyrazole-4-carboxylate Openeye Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl] 1-benzyl-3-(2-thienyl)pyrazole-4-carboxylate CAS Name: 1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolecarboxylic acid [2-[2-(cyanomethylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 1-benzyl-3-thiophen-2-ylpyrazole-4-carboxylate Traditional Name: 1-benzyl-3-(2-thienyl)pyrazole-4-carboxylic acid [2-[2-(cyanomethylthio)anilino]-2-keto-ethyl] ester Formula: C25H20N4O3S2 MolecularWeight: 488.5813

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=CS3)C(=O)OCC(=O)NC4=CC=CC=C4SCC#N

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=CS3)C(=O)OCC(=O)NC4=CC=CC=C4SCC#N

InChI

InChI=1S/C25H20N4O3S2/c26-12-14-34-21-10-5-4-9-20(21)27-23(30)17-32-25(31)19-16-29(15-18-7-2-1-3-8-18)28-24(19)22-11-6-13-33-22/h1-11,13,16H,14-15,17H2,(H,27,30)